SCHEMBL2431805

SCHEMBL2431805

ClCc1csc(-c2ccccc2Cl)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
TDP1 Q9NUW8 5/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
GFER P55789 2/20 0.57
KDM4E B2RXH2 8/20 0.52
RAB9A P51151 4/20 0.49
NPC1 O15118 4/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
CYP19A1 P11511 1/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 1/20 0.46
HTR2C P28335 1/20 0.45
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16619009 0.84 ALDH1A1 (0.73) ALDH1A1TDP1L3MBTL1GFERKDM4E
SCHEMBL5895082 0.84 ALDH1A1 (0.73) ALDH1A1TDP1L3MBTL1KDM4ERAB9A
SCHEMBL18015824 0.84 ALDH1A1 (0.73) ALDH1A1TDP1L3MBTL1GFERKDM4E
SCHEMBL18015816 0.81 L3MBTL1 (0.69) ALDH1A1TDP1L3MBTL1KDM4ERAB9A
SCHEMBL5930632 0.81 ALDH1A1 (0.69) ALDH1A1TDP1L3MBTL1GFERKDM4E
SCHEMBL16619626 0.81 L3MBTL1 (0.69) ALDH1A1TDP1L3MBTL1KDM4ENPC1
SCHEMBL28247074 0.81 ALDH1A1 (0.68) ALDH1A1TDP1L3MBTL1GFERKDM4E
SCHEMBL28008732 0.81 ALDH1A1 (0.68) ALDH1A1TDP1L3MBTL1GFERKDM4E
SCHEMBL21115997 0.80 ALDH1A1 (0.67) ALDH1A1TDP1L3MBTL1KDM4ERAB9A
SCHEMBL18014690 0.80 ALDH1A1 (0.67) ALDH1A1TDP1L3MBTL1GFERKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531688-A Process for the preparation of L-alanyl-L-alanine 2- {4- [2- ({ [2 (4-chlorophenyl) -1, 3-thiazol-4-yl ] methyl } sulfanyl) -3, 5-dicyano-6- (pyrrolidin-1-yl) pyridin-4-yl ] phenoxy } ethyl ester monohydrochloride 拜耳制药股份公司 2018-01-02 CN claimed
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 US disclosed
EP-2079466-B1 SUBSTITUTED INDOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-01-15 EP disclosed
US-20110301203-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-12-08 US disclosed
US-8026262-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2011-09-27 US disclosed
EP-1537091-B1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
US-20090264482-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-10-22 US disclosed
US-7572820-B2 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
EP-2079466-A2 SUBSTITUTED INDOLE COMPOUNDS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
CN-100475810-C Novel 2-arylthiazole compounds as pparalpha and ppargamma agonists HOFFMANN LA ROCHE (CH) 2009-04-08 CN disclosed
WO-2008042571-A2 SUBSTITUTED INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-10 WO disclosed
CN-1678596-A Novel 2-arylthiazole compounds as PPAR alpha and PPAR gamma agonists HOFFMANN LA ROCHE (CH) 2005-10-05 CN disclosed
US-6933322-B2 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus WYETH (US) 2005-08-23 US disclosed
US-6930131-B2 Aryl substituted 3-ethoxy phenyl trifluoromethane sulfonamides for the treatment of non-insulin dependent diabetes mellitus (NIDDM) WYETH (US) 2005-08-16 US disclosed
EP-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP disclosed
US-6809110-B2 NONINSULIN DEPENDENT DIABETES; SUCH AS 2-ETHOXY-3-(4-(2-(5-METHYL-2-PHENYL-THIAZOL-4-YL)-ETHOXY)-BENZO(B)THIOPHEN-7-YL)-PROPIONIC ACID HOFFMANN-LA ROCHE INC. 2004-10-26 US disclosed
US-20040110807-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-10 US disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 WO disclosed
US-20030216442-A1 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus WYETH 2003-11-20 US disclosed
US-20030203941-A1 Substituted phenyl compounds for the treatment of non-insulin dependent diabetes mellitus WYETH (US) 2003-10-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030203941-A1 Substituted phenyl compounds for the treatment of non-insulin dependent diabetes mellitus GPR119, INSR, SLC5A1 ALDH1A1 536/4885TDP1 4018/4885L3MBTL1 931/4885
US-20090264482-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA ALDH1A1 671/4885TDP1 4503/4885L3MBTL1 4589/4885
US-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA ALDH1A1 671/4885TDP1 4503/4885L3MBTL1 4589/4885
US-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR ALDH1A1 274/4885TDP1 1466/4885L3MBTL1 2050/4885
US-20030216442-A1 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus INSR, GPR119, SLC5A1 ALDH1A1 648/4885TDP1 3476/4885L3MBTL1 1880/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.